T8197430
1,3,5-Cycloheptatriene , >95.0%(GC) , 544-25-2
CAS NO.：544-25-2
Empirical Formula: C7H8
Molecular Weight: 92.14
MDL number: MFCD00004146
EINECS: 208-866-3
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -79.5°C |
| Boiling point: | 116-117 °C (lit.) |
| Density | 0.888 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 80 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethanol (Slightly) |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Water Solubility | insoluble |
| BRN | 506066 |
| Henry's Law Constant | 2.2×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| Dielectric constant | 2.54 |
| InChI | 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| SMILES | C1C=CC=CC=C1 |
| LogP | 2.630 |
| CAS DataBase Reference | 544-25-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3,5-Cycloheptatriene(544-25-2) |
| EPA Substance Registry System | 1,3,5-Cycloheptatriene (544-25-2) |
Description and Uses
1,3,5-Cycloheptatriene functions as a ligand in organometallic chemistry and also as a building block in organic synthetic processes. 1,3,5-Cycloheptatriene is applied in cycloheptatrienyl transition zirconium complexes formation and in other organic complex formation processes.
Safety
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301+H311-H315-H319-H304-H412-H225 |
| Precautionary statements | P501-P273-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405 |
| target organs | Respiratory system |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | F,T |
| Risk Statements | 11-25-36/37/38-65 |
| Safety Statements | 16-26-36/37/39-45-62 |
| RIDADR | UN 2603 |
| WGK Germany | 3 |
| RTECS | GU3675000 |
| F | 10-23 |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29021990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Chronic 3 Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
